2,2,3,3,4,4-Hexafluoropentanedioic Anhydride - ≥97% , CAS No.376-68-1

CAS: 376-68-1 Cat. No.: H156967 Molecular Weight: 222.04 Beilstein Registry Number: 23(5)1,142 EC Number: 206-811-8

GRADE & PURITY ≥97%

Synonyms

EINECS 206-811-8 | 2,2,3,3,4,4-Hexafluoropentanedioic Anhydride | EN300-25323 | C5F6O3 | PS-10626 | Hexafluoroglutaric acid anhydride | H0745 | SCHEMBL316973 | MFCD00006680 | Hexafluoroglutaric anhydride | 3,3,4,4,5,5-hexafluorooxane-2,6-dione | DTXSID901

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

EINECS 206-811-8 | 2, 2, 3, 3, 4, 4-Hexafluoropentanedioic Anhydride | EN300-25323 | C5F6O3 | PS-10626 | Hexafluoroglutaric acid anhydride | H0745 | SCHEMBL316973 | MFCD00006680 | Hexafluoroglutaric anhydride | 3, 3, 4, 4, 5, 5-hexafluorooxane-2, 6-dione | DTXSID901

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F
• IUPAC Name: 3,3,4,4,5,5-hexafluorooxane-2,6-dione
• InChIKey: IHYAGCYJVNHXCT-UHFFFAOYSA-N
• INCHI: 1S/C5F6O3/c6-3(7)1(12)14-2(13)4(8,9)5(3,10)11
• Isomeric SMILES: C1(=O)C(C(C(C(=O)O1)(F)F)(F)F)(F)F
• RTECS: TM0860000
• UN Number: 3265
• Packing Group: III
• Molecular Weight: 222.04
• Beilstein: 23(5)1,142
• Reaxy-Rn: 210699
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210699&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Lactones
      • Subclass Delta valerolactones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Lactones
• Subclass: Delta valerolactones
• Intermediate Tree Nodes: Not available
• Direct Parent: Delta valerolactones
• Alternative Parents: Oxanes Dicarboxylic acids and derivatives Carboxylic acid anhydrides Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Delta valerolactone - Delta_valerolactone - Dicarboxylic acid or derivatives - Oxane - Carboxylic acid anhydride - Carboxylic acid derivative - Oxacycle - Alkyl fluoride - Organooxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Alkyl halide - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as delta valerolactones. These are cyclic organic compounds containing an oxan-2- one moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture Sensitive,Heat sensitive
• Refractive Index: 1.324
• Boil Point(°C): 72 °C
• Molecular Weight: 222.040 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 0
• Exact Mass: 221.975 Da
• Monoisotopic Mass: 221.975 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 281.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1